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3A9R

X-ray Structures of Bacillus pallidus D-Arabinose IsomeraseComplex with (4R)-2-METHYLPENTANE-2,4-DIOL

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron sitePhoton Factory
BeamlineAR-NW12A
Temperature [K]100
Detector technologyCCD
Collection date2009-05-15
DetectorADSC QUANTUM 4r
Wavelength(s)1.0
Spacegroup nameP 21 21 2
Unit cell lengths144.751, 127.447, 110.885
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.830 - 1.770
R-factor0.178
Rwork0.178
R-free0.20000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1fui
RMSD bond length0.005
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.800
High resolution limit [Å]1.7701.770
Rmerge0.0720.374
Number of reflections199894
<I/σ(I)>26.44.8
Completeness [%]99.598.8
Redundancy76.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6293100mM citrate buffer pH 6.0, 20% (w/v) PEG 3000, 90mM potassium sodium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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